3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine

C202H191N11O2S — CID 159660503

IUPAC3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine
SMILESCCCCCCCCOc1cc2c(cc1-c1cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c1)sc1cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c(OCCCCCCCC)cc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C80H96O2S.C55H34N6.C46H46N2.C21H15N3/c1-15-17-19-21-23-25-43-81-73-51-71-72-52-74(82-44-26-24-22-20-18-16-2)70(64-49-61(57-31-39-67(40-32-57)79(9,10)11)46-62(50-64)58-33-41-68(42-34-58)80(12,13)14)54-76(72)83-75(71)53-69(73)63-47-59(55-27-35-65(36-28-55)77(3,4)5)45-60(48-63)56-29-37-66(38-30-56)78(6,7)8;1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38;1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h27-42,45-54H,15-26,43-44H2,1-14H3;1-34H;8-31H,5-7,32-33H2,1-4H3;1-15H
InChIKeyMSSUVELGXAIEJF-UHFFFAOYSA-N
MW2836.89 g/mol
LogP55.11
Rot. Bonds39

About 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine

3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine (PubChem CID 159660503) has the molecular formula C202H191N11O2S and a molecular weight of 2836.89 g/mol. Its IUPAC name is 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine.

Molecular Properties

Compound Name3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine
PubChem CID159660503
Molecular FormulaC202H191N11O2S
Molecular Weight2836.89 g/mol
Exact Mass2834.49
IUPAC Name3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine
SMILESCCCCCCCCOc1cc2c(cc1-c1cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c1)sc1cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c(OCCCCCCCC)cc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C80H96O2S.C55H34N6.C46H46N2.C21H15N3/c1-15-17-19-21-23-25-43-81-73-51-71-72-52-74(82-44-26-24-22-20-18-16-2)70(64-49-61(57-31-39-67(40-32-57)79(9,10)11)46-62(50-64)58-33-41-68(42-34-58)80(12,13)14)54-76(72)83-75(71)53-69(73)63-47-59(55-27-35-65(36-28-55)77(3,4)5)45-60(48-63)56-29-37-66(38-30-56)78(6,7)8;1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38;1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h27-42,45-54H,15-26,43-44H2,1-14H3;1-34H;8-31H,5-7,32-33H2,1-4H3;1-15H
InChIKeyMSSUVELGXAIEJF-UHFFFAOYSA-N
XLogP55.11
TPSA140.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds39
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002836.89
LogP ≤ 555.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine
CID 159235646
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-9,9'-spirobi[fluorene]-2-amine
CID 157324927
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153288047
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 160597973
N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 88886994
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 176628622

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine?
The IUPAC name of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine (CID 159660503) is 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine.
What is the SMILES notation for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine?
The canonical SMILES for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine is CCCCCCCCOc1cc2c(cc1-c1cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c1)sc1cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c(OCCCCCCCC)cc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine?
The InChIKey is MSSUVELGXAIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H96O2S.C55H34N6.C46H46N2.C21H15N3/c1-15-17-19-21-23-25-43-81-73-51-71-72-52-74(82-44-26-24-22-20-18-16-2)70(64-49-61(57-31-39-67(40-32-57)79(9,10)11)46-62(50-64)58-33-41-68(42-34-58)80(12,13)14)54-76(72)83-75(71)53-69(73)63-47-59(55-27-35-65(36-28-55)77(3,4)5)45-60(48-63)56-29-37-66(38-30-56)78(6,7)8;1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38;1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h27-42,45-54H,15-26,43-44H2,1-14H3;1-34H;8-31H,5-7,32-33H2,1-4H3;1-15H.
What are the key properties of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine?
3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine has a molecular weight of 2836.89 g/mol, XLogP of 55.11, 39 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2,4,6-triphenyl-1,3,5-triazine is sourced from PubChem (CID 159660503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).